Information card for entry 7114736

Structure parameters

• Formula: C48 H96 Cl8 Fe5 K4 O24 S4
• Calculated formula: C48 H96 Cl8 Fe5 K4 O24 S4
• Title of publication: Synthesis and structure of an unprecedented high-symmetry [Fe4S4Cl4] cubane-type unit in supramolecular [K4(FeCl4)(C12H24O6)4][Fe4S4Cl4]
• Authors of publication: Willems, Johannes B.; Köckerling, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1380
• a: 21.241 ± 0.002 Å
• b: 21.241 ± 0.002 Å
• c: 21.241 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9583.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 196
• Hermann-Mauguin space group symbol: F 2 3
• Hall space group symbol: F 2 2 3
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No